MassBank Record: WA002016



 Trifluoperazine (oxide); LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002016
RECORD_TITLE: Trifluoperazine (oxide); LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Trifluoperazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H24F3N3OS CH$EXACT_MASS: 423.15922 CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)S(=O)c(cccc2)1 CH$IUPAC: InChI=1S/C21H24F3N3OS/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)29(28)20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 CH$LINK: CAS 117-89-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.140 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01ox-0900300000-68c86ba2b3cacddba955 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 101 27 27 111 118 118 113 999 999 114 47 47 117 43 43 127 20 20 133 12 12 139 78 78 141 968 968 142 47 47 155 12 12 262 16 16 266 20 20 280 110 110 281 12 12 296 12 12 307 12 12 308 27 27 324 63 63 353 71 71 368 12 12 405 16 16 406 20 20 408 235 235 409 43 43 410 12 12 424 317 317 425 47 47 426 16 16 440 196 196 441 39 39 442 12 12 //